Please provide the input and output files of your calculations so that we can investigate the issue (e.g. using the public Google Drive repository).
Iurii -- Dr. Iurii TIMROV Senior Research Scientist Theory and Simulation of Materials (THEOS) Swiss Federal Institute of Technology Lausanne (EPFL) CH-1015 Lausanne, Switzerland +41 21 69 34 881 http://people.epfl.ch/265334 ________________________________ From: users <[email protected]> on behalf of Mahmoud Payami Shabestari via users <[email protected]> Sent: Monday, August 15, 2022 12:10:30 PM To: [email protected] Subject: [QE-users] QE-7.1 does not support NCPP Dear QE-7.1 Developers, Kindly, I tried to test norm-conserving PP with QE-7.1, but in the process of reading the PP information the following error appears: %%%%%%%%%%%%%% Error in routine offset_atom_wfc (1): Mismatch between the requested and available manifolds %%%%%%%%%%%%%%%%%%%%% I would be grateful for any solution for this problem. Best regards, Mahmoud Payami NSTRI, AEOI, Tehran, Iran Email: [email protected] Phone: +98 (0)21 82066504 --------------------------------------------------------
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